2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid

C14H20N2O3 — CID 113380086

IUPAC2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(N2CCC(O)CC2)n1
InChIInChI=1S/C14H20N2O3/c1-2-3-11-8-10(14(18)19)9-13(15-11)16-6-4-12(17)5-7-16/h8-9,12,17H,2-7H2,1H3,(H,18,19)
InChIKeyZSXCRMPVLIRFEX-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.69
Rot. Bonds4

About 2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid

2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid (PubChem CID 113380086) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid
PubChem CID113380086
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(N2CCC(O)CC2)n1
InChIInChI=1S/C14H20N2O3/c1-2-3-11-8-10(14(18)19)9-13(15-11)16-6-4-12(17)5-7-16/h8-9,12,17H,2-7H2,1H3,(H,18,19)
InChIKeyZSXCRMPVLIRFEX-UHFFFAOYSA-N
XLogP1.69
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid (CID 113380086) is 2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(N2CCC(O)CC2)n1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid?
The InChIKey is ZSXCRMPVLIRFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-3-11-8-10(14(18)19)9-13(15-11)16-6-4-12(17)5-7-16/h8-9,12,17H,2-7H2,1H3,(H,18,19).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid?
2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 113380086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).